3-[1-(1-butyl-5-chloranyl-2-methyl-indol-3-yl)ethyl]-6-(pyridin-2-ylmethyl)piperazine-2,5-dione

Systemtic Name: 3-[1-(1-butyl-5-chloranyl-2-methyl-indol-3-yl)ethyl]-6-(pyridin-2-ylmethyl)piperazine-2,5-dione Openeye Name: 3-[1-(1-butyl-5-chloro-2-methyl-indol-3-yl)ethyl]-6-(2-pyridylmethyl)piperazine-2,5-dione CAS Name: 3-[1-(1-butyl-5-chloro-2-methyl-3-indolyl)ethyl]-6-(2-pyridinylmethyl)piperazine-2,5-dione IUPAC Name: 3-[1-(1-butyl-5-chloro-2-methylindol-3-yl)ethyl]-6-(pyridin-2-ylmethyl)piperazine-2,5-dione Traditional Name: 3-[1-(1-butyl-5-chloro-2-methyl-indol-3-yl)ethyl]-6-(2-pyridylmethyl)piperazine-2,5-quinone Formula: C25H29ClN4O2 MolecularWeight: 452.97636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2)Cl)C(C)C3C(=O)NC(C(=O)N3)CC4=CC=CC=N4)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2)Cl)C(C)C3C(=O)NC(C(=O)N3)CC4=CC=CC=N4)C

InChI

InChI=1S/C25H29ClN4O2/c1-4-5-12-30-16(3)22(19-13-17(26)9-10-21(19)30)15(2)23-25(32)28-20(24(31)29-23)14-18-8-6-7-11-27-18/h6-11,13,15,20,23H,4-5,12,14H2,1-3H3,(H,28,32)(H,29,31)